3-pyrrolidin-1-ylpropanoyl fluoride

C7H12FNO — CID 139608245

IUPAC3-pyrrolidin-1-ylpropanoyl fluoride
SMILESO=C(F)CCN1CCCC1
InChIInChI=1S/C7H12FNO/c8-7(10)3-6-9-4-1-2-5-9/h1-6H2
InChIKeyLIEOPRVYNAMODF-UHFFFAOYSA-N
MW145.18 g/mol
LogP0.97
Rot. Bonds3

About 3-pyrrolidin-1-ylpropanoyl fluoride

3-pyrrolidin-1-ylpropanoyl fluoride (PubChem CID 139608245) has the molecular formula C7H12FNO and a molecular weight of 145.18 g/mol. Its IUPAC name is 3-pyrrolidin-1-ylpropanoyl fluoride.

Molecular Properties

Compound Name3-pyrrolidin-1-ylpropanoyl fluoride
PubChem CID139608245
Molecular FormulaC7H12FNO
Molecular Weight145.18 g/mol
Exact Mass145.09
IUPAC Name3-pyrrolidin-1-ylpropanoyl fluoride
SMILESO=C(F)CCN1CCCC1
InChIInChI=1S/C7H12FNO/c8-7(10)3-6-9-4-1-2-5-9/h1-6H2
InChIKeyLIEOPRVYNAMODF-UHFFFAOYSA-N
XLogP0.97
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.18
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-pyrrolidin-1-ylpropanoyl fluoride?
The IUPAC name of 3-pyrrolidin-1-ylpropanoyl fluoride (CID 139608245) is 3-pyrrolidin-1-ylpropanoyl fluoride.
What is the SMILES notation for 3-pyrrolidin-1-ylpropanoyl fluoride?
The canonical SMILES for 3-pyrrolidin-1-ylpropanoyl fluoride is O=C(F)CCN1CCCC1.
What is the InChIKey of 3-pyrrolidin-1-ylpropanoyl fluoride?
The InChIKey is LIEOPRVYNAMODF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12FNO/c8-7(10)3-6-9-4-1-2-5-9/h1-6H2.
What are the key properties of 3-pyrrolidin-1-ylpropanoyl fluoride?
3-pyrrolidin-1-ylpropanoyl fluoride has a molecular weight of 145.18 g/mol, XLogP of 0.97, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyrrolidin-1-ylpropanoyl fluoride is sourced from PubChem (CID 139608245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).